N-(2-azanylethyl)-N'-[(1-carbamimidoylpiperidin-3-yl)methyl]-N-cyclopropyl-2-morpholin-4-yl-2-(sulfonylamino)butanediamide

Systemtic Name: N-(2-azanylethyl)-N'-[(1-carbamimidoylpiperidin-3-yl)methyl]-N-cyclopropyl-2-morpholin-4-yl-2-(sulfonylamino)butanediamide Openeye Name: N-(2-aminoethyl)-N'-[(1-carbamimidoyl-3-piperidyl)methyl]-N-cyclopropyl-2-morpholino-2-(sulfonylamino)butanediamide CAS Name: N-(2-aminoethyl)-N'-[(1-carbamimidoyl-3-piperidinyl)methyl]-N-cyclopropyl-2-(4-morpholinyl)-2-(sulfonylamino)butanediamide IUPAC Name: N-(2-aminoethyl)-N'-[(1-carbamimidoylpiperidin-3-yl)methyl]-N-cyclopropyl-2-morpholin-4-yl-2-(sulfonylamino)butanediamide Traditional Name: N'-[(1-amidino-3-piperidyl)methyl]-N-(2-aminoethyl)-N-cyclopropyl-2-morpholino-2-(sulfonylamino)succinamide Formula: C20H36N8O5S MolecularWeight: 500.61544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)CC(C(=O)N(CCN)C2CC2)(N=S(=O)=O)N3CCOCC3

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)CC(C(=O)N(CCN)C2CC2)(N=S(=O)=O)N3CCOCC3

InChI

InChI=1S/C20H36N8O5S/c21-5-7-28(16-3-4-16)18(30)20(25-34(31)32,27-8-10-33-11-9-27)12-17(29)24-13-15-2-1-6-26(14-15)19(22)23/h15-16H,1-14,21H2,(H3,22,23)(H,24,29)